2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole

C8H6ClNS2 — CID 62941980

IUPAC2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2csc(Cl)n2)s1
InChIInChI=1S/C8H6ClNS2/c1-5-2-3-7(12-5)6-4-11-8(9)10-6/h2-4H,1H3
InChIKeyMKAHXZUMVLHDID-UHFFFAOYSA-N
MW215.73 g/mol
LogP3.83
Rot. Bonds1

About 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole

2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole (PubChem CID 62941980) has the molecular formula C8H6ClNS2 and a molecular weight of 215.73 g/mol. Its IUPAC name is 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole
PubChem CID62941980
Molecular FormulaC8H6ClNS2
Molecular Weight215.73 g/mol
Exact Mass214.96
IUPAC Name2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2csc(Cl)n2)s1
InChIInChI=1S/C8H6ClNS2/c1-5-2-3-7(12-5)6-4-11-8(9)10-6/h2-4H,1H3
InChIKeyMKAHXZUMVLHDID-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole (CID 62941980) is 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole is Cc1ccc(-c2csc(Cl)n2)s1.
What is the InChIKey of 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole?
The InChIKey is MKAHXZUMVLHDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS2/c1-5-2-3-7(12-5)6-4-11-8(9)10-6/h2-4H,1H3.
What are the key properties of 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole?
2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole has a molecular weight of 215.73 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 62941980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).